5-acetyl-3-fluoro-1-methylpyridin-2-one

C8H8FNO2 — CID 167221105

IUPAC5-acetyl-3-fluoro-1-methylpyridin-2-one
SMILESCC(=O)c1cc(F)c(=O)n(C)c1
InChIInChI=1S/C8H8FNO2/c1-5(11)6-3-7(9)8(12)10(2)4-6/h3-4H,1-2H3
InChIKeyCLXAPSFHJVFNNC-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.73
Rot. Bonds1

About 5-acetyl-3-fluoro-1-methylpyridin-2-one

5-acetyl-3-fluoro-1-methylpyridin-2-one (PubChem CID 167221105) has the molecular formula C8H8FNO2 and a molecular weight of 169.15 g/mol. Its IUPAC name is 5-acetyl-3-fluoro-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-acetyl-3-fluoro-1-methylpyridin-2-one
PubChem CID167221105
Molecular FormulaC8H8FNO2
Molecular Weight169.15 g/mol
Exact Mass169.05
IUPAC Name5-acetyl-3-fluoro-1-methylpyridin-2-one
SMILESCC(=O)c1cc(F)c(=O)n(C)c1
InChIInChI=1S/C8H8FNO2/c1-5(11)6-3-7(9)8(12)10(2)4-6/h3-4H,1-2H3
InChIKeyCLXAPSFHJVFNNC-UHFFFAOYSA-N
XLogP0.73
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-acetyl-3-fluoro-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-fluoro-1-methylpyridin-2-one?
The IUPAC name of 5-acetyl-3-fluoro-1-methylpyridin-2-one (CID 167221105) is 5-acetyl-3-fluoro-1-methylpyridin-2-one.
What is the SMILES notation for 5-acetyl-3-fluoro-1-methylpyridin-2-one?
The canonical SMILES for 5-acetyl-3-fluoro-1-methylpyridin-2-one is CC(=O)c1cc(F)c(=O)n(C)c1.
What is the InChIKey of 5-acetyl-3-fluoro-1-methylpyridin-2-one?
The InChIKey is CLXAPSFHJVFNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-5(11)6-3-7(9)8(12)10(2)4-6/h3-4H,1-2H3.
What are the key properties of 5-acetyl-3-fluoro-1-methylpyridin-2-one?
5-acetyl-3-fluoro-1-methylpyridin-2-one has a molecular weight of 169.15 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-fluoro-1-methylpyridin-2-one is sourced from PubChem (CID 167221105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).